SCHEMBL6047196

SCHEMBL6047196

CNCc1cccnc1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
NAMPT P43490 1/20 0.43
P2RX7 Q99572 4/20 0.43
CYP2A6 P11509 1/20 0.42
SLC6A4 P31645 6/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A3 Q01959 5/20 0.39
GABRA5 P31644 1/20 0.38
MCL1 Q07820 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
LTA4H P09960 1/20 0.37
HTR2A P28223 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21532910 0.82 P2RX7 (0.49) CYP2C9NAMPTP2RX7GABRA5
SCHEMBL17886855 0.80 CYP2C9 (0.42) CYP2C9NAMPTP2RX7GABRA5
SCHEMBL17888348 0.80 GAA (0.42) CYP2C9NAMPTP2RX7SLC6A4SLC6A2
SCHEMBL8550272 0.79 ADRA2C (0.46) CYP2C9NAMPTP2RX7GABRA5HTR2A
SCHEMBL16619259 0.78 MCL1 (0.44) CYP2A6SLC6A4SLC6A2SLC6A3MCL1
SCHEMBL7416949 0.78 KDM1A (0.49) CYP2A6SLC6A4SLC6A2SLC6A3MCL1
SCHEMBL7937049 0.78 CYP2A6 (0.41) CYP2A6SLC6A4SLC6A2SLC6A3MCL1
SCHEMBL5768182 0.78 KDM1A (0.49) P2RX7CYP2A6SLC6A4SLC6A2SLC6A3
SCHEMBL7925387 0.78 CYP2A6 (0.41) CYP2C9CYP2A6SLC6A4SLC6A2SLC6A3
SCHEMBL31509923 0.78 CYP2A6 (0.41) CYP2A6SLC6A4SLC6A2SLC6A3MCL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
WO-2021003398-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-01-07 WO disclosed
EP-3038466-B1 2,2-DIFLUORODIOXOLO A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2018-05-23 EP disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
EP-2978764-B1 PYRAZOLONAPHTHYRIDINONE DERIVATIVES AS METAP2 INHIBITORS (METHIONINE AMINOPEPTIDASE TYPE-2) SANOFI SA (FR) 2017-04-19 EP disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20160060265-A1 PYRAZOLONAPHTHYRIDINONE DERIVATIVES AS METAP2 INHIBITORS (METHIONINE AMINOPEPTIDASE TYPE-2) SANOFI (FR) 2016-03-03 US disclosed
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
US-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-16 US disclosed
EP-1544200-A1 1,2,4 -TRIAZOLO 1,5-c PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 CYP2C9 321/4885NAMPT 1885/4885P2RX7 247/4885
US-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives ADORA2A, ADORA1, ADORA3 CYP2C9 934/4885NAMPT 2537/4885P2RX7 24/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CYP2C9 3111/4885NAMPT 2312/4885P2RX7 89/4885
US-20160060265-A1 PYRAZOLONAPHTHYRIDINONE DERIVATIVES AS METAP2 INHIBITORS (METHIONINE AMINOPEPTIDASE TYPE-2) METAP2, METAP1, XPNPEP2 CYP2C9 742/4885NAMPT 545/4885P2RX7 1258/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 CYP2C9 321/4885NAMPT 1885/4885P2RX7 247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.